SCHEMBL9154458

SCHEMBL9154458

CO/N=C(\C)c1cccc(NC(=O)NCC(=O)N(CC(=O)N(C)c2ccccc2)c2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CASR P41180 1/20 0.40
TSHR P16473 3/20 0.38
PPIB P23284 1/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
MCL1 Q07820 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
THRB P10828 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9154462 1.00 KMT2A (0.40) KMT2AMEN1CASRTSHRPPIB
SCHEMBL9154453 1.00 KMT2A (0.40) KMT2AMEN1CASRTSHRPPIB
SCHEMBL9157339 0.90 KMT2A (0.42) KMT2AMEN1CASRTSHRPPIB
SCHEMBL9157342 0.90 KMT2A (0.42) KMT2AMEN1CASRTSHRPPIB
SCHEMBL9157333 0.90 KMT2A (0.42) KMT2AMEN1CASRTSHRPPIB
SCHEMBL9154016 0.88 KMT2A (0.52) KMT2AMEN1TSHRPPIBMAPT
SCHEMBL9155669 0.86 CASR (0.48) KMT2AMEN1CASRPPIBMAPK1
SCHEMBL9152359 0.86 CASR (0.44) KMT2AMEN1CASRTSHRPPIB
SCHEMBL9156251 0.85 L3MBTL1 (0.47) KMT2AMEN1CASRTSHRPPIB
SCHEMBL9159917 0.84 ROCK2 (0.45) KMT2AMEN1CASRTSHRPPIB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5382590-A Gastrointestinal disorders and nervous system disorders RHONE-POULENC RORER S.A. (FR) 1995-01-17 US disclosed